ACJ

5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID


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Chemical Component Summary

Name5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID
Identifiers5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid
FormulaC14 H7 Cl F3 N O5
Molecular Weight361.657
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-]
InChIInChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
InChIKeyNUFNQYOELLVIPL-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07338 
NameAcifluorfen
Groups experimental
DescriptionAcifluorfen is a protoporphyrinogen oxidase inhibitor.
Synonyms
  • Acifluorfen sodium
  • Acifluorfen
Categories
  • Acids, Carbocyclic
  • Agrochemicals
  • Benzene Derivatives
  • Benzoates
  • Compounds used in a research, industrial, or household setting
CAS number50594-66-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Protoporphyrinogen oxidaseMHHMPRTTGMNVAVVGGGISGLAVAHHLRSRGTDAVLLESSARLGGAVGT...unknown
Protoporphyrinogen oxidaseMSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 44073
ChEMBL CHEMBL222440
ChEBI CHEBI:73172